N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

C18H22N4O2S2 — CID 51315470

IUPACN,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O2S2/c1-20(2)16(23)13-26-15-6-4-3-5-14(15)17(24)21-8-10-22(11-9-21)18-19-7-12-25-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyUBGKPGBCPHQAFT-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.29
Rot. Bonds5

About N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide

N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (PubChem CID 51315470) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
PubChem CID51315470
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC NameN,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide
SMILESCN(C)C(=O)CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C18H22N4O2S2/c1-20(2)16(23)13-26-15-6-4-3-5-14(15)17(24)21-8-10-22(11-9-21)18-19-7-12-25-18/h3-7,12H,8-11,13H2,1-2H3
InChIKeyUBGKPGBCPHQAFT-UHFFFAOYSA-N
XLogP2.29
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(dimethylamino)-3-pyridinyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 56817493
(2-propan-2-ylsulfanyl-3-pyridinyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 47039184
2-hydroxy-2-phenyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 111432215
(2,6-dihydroxyphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 103748970
(2-hydroxy-4-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 29031368
(2-bromo-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 80973187
[2-(2-fluorophenyl)sulfanyl-5-nitrophenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 34005334
(2,5-dichlorothiophen-3-yl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 51306337
(2-fluoro-5-methylphenyl)-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 62511266
3-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111068258
2-[2-[4-[(3S)-1,1-dioxothiolan-3-yl]sulfonylpiperazine-1-carbonyl]phenyl]sulfanyl-N,N-dimethylacetamide
CID 51960582
2-bromo-N-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 39507528

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The IUPAC name of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide (CID 51315470) is N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is CN(C)C(=O)CSc1ccccc1C(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
The InChIKey is UBGKPGBCPHQAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-20(2)16(23)13-26-15-6-4-3-5-14(15)17(24)21-8-10-22(11-9-21)18-19-7-12-25-18/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide?
N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide has a molecular weight of 390.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfanylacetamide is sourced from PubChem (CID 51315470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).